CID 357775

2-bromo-4-methylpent-1-ene

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(C)CC(=C)Br
InChI
InChI=1S/C6H11Br/c1-5(2)4-6(3)7/h5H,3-4H2,1-2H3
InChIKey
RBUSVPQUZNBAGV-UHFFFAOYSA-N
Compound name
2-bromo-4-methylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.00441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 129.2
[M+Na]+ 184.993628 139.8
[M-H]- 160.997134 132.4
[M+NH4]+ 180.038233 153.4
[M+K]+ 200.967568 130.1
[M+H-H2O]+ 145.001670 130.4
[M+HCOO]- 207.002611 148.7
[M+CH3COO]- 221.018261 179.0
[M+Na-2H]- 182.979076 135.0
[M]+ 162.00386142 146.8
[M]- 162.00495858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe